SCHEMBL4899899

SCHEMBL4899899

CCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3C(=O)N(CCO)CCO)cc2n(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
JMJD6 Q6NYC1 1/20 0.31
PABPC1 P11940 1/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX15 P16050 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4904278 0.94 THRB (0.35) THRBALDH1A1KDM4EKMT2AMEN1
SCHEMBL4904368 0.92 THRB (0.35) THRBALDH1A1KDM4EKMT2AMEN1
SCHEMBL4896197 0.90 THRB (0.34) THRBALDH1A1KDM4EKMT2AMEN1
SCHEMBL4909515 0.90 ALDH1A1 (0.37) THRBALDH1A1KDM4EKMT2AMEN1
SCHEMBL4898503 0.89 THRB (0.37) THRBALDH1A1KDM4EKMT2AMEN1
SCHEMBL4906748 0.88 ALDH1A1 (0.36) THRBALDH1A1KDM4EKMT2AMEN1
SCHEMBL4901376 0.87 ALDH1A1 (0.39) THRBALDH1A1KDM4EKMT2AMEN1
SCHEMBL14067449 0.87 ALDH1A1 (0.38) THRBALDH1A1KDM4EKMT2AMEN1
SCHEMBL14067482 0.87 ALDH1A1 (0.38) THRBALDH1A1KDM4EKMT2AMEN1
SCHEMBL4901065 0.86 ALDH1A1 (0.36) THRBALDH1A1KDM4EKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 THRB 3610/4885ALDH1A1 2874/4885KDM4E 1139/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.